8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol

C21H36N2O3 — CID 21483956

IUPAC8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(C)NC1Cc2cccc(OCC(C)(O)CNC(C)(C)C)c2CC1O
InChIInChI=1S/C21H36N2O3/c1-14(2)23-17-10-15-8-7-9-19(16(15)11-18(17)24)26-13-21(6,25)12-22-20(3,4)5/h7-9,14,17-18,22-25H,10-13H2,1-6H3
InChIKeyDACMUYUIPDTBFY-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.03
Rot. Bonds7

About 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol

8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 21483956) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID21483956
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(C)NC1Cc2cccc(OCC(C)(O)CNC(C)(C)C)c2CC1O
InChIInChI=1S/C21H36N2O3/c1-14(2)23-17-10-15-8-7-9-19(16(15)11-18(17)24)26-13-21(6,25)12-22-20(3,4)5/h7-9,14,17-18,22-25H,10-13H2,1-6H3
InChIKeyDACMUYUIPDTBFY-UHFFFAOYSA-N
XLogP2.03
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 21483956) is 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol is CC(C)NC1Cc2cccc(OCC(C)(O)CNC(C)(C)C)c2CC1O.
What is the InChIKey of 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is DACMUYUIPDTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-14(2)23-17-10-15-8-7-9-19(16(15)11-18(17)24)26-13-21(6,25)12-22-20(3,4)5/h7-9,14,17-18,22-25H,10-13H2,1-6H3.
What are the key properties of 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 364.53 g/mol, XLogP of 2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(tert-butylamino)-2-hydroxy-2-methylpropoxy]-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 21483956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).